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Liquid heat capacities of 33 pure compounds have been calculated using the group contribution equation of state VTPR (volume translated Peng–Robinson). Since the predicted heat capacities were not always in good agreement with the experimental data, systematic investigations were performed to improve the situation. Distinct improvements were obtained by fitting the Twu-α-parameters simultaneously...
As a part of an ongoing process, the predictive Soave–Redlich–Kwong (PSRK) group contribution equation of state was extended by the introduction of additional structural groups (F 2 , Cl 2 , Br 2 , HCN, NO 2 , CF 4 , O 3 and ClNO) and fitting of the corresponding group interaction parameters. Interaction parameters between already existing main groups...
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